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Compound Detail

CHEMBL2371424

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(=O)O

Basic Information

ChEMBL ID CHEMBL2371424
Phase Preclinical
Structure Type BOTH
InChI Key DQXPIAOPCGWWEP-WUQPOLMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

959.2
MW (Da)
-0.93
ALogP
12
HBA
12
HBD
354.9
PSA (Ų)
0.03
QED
3
Ro5 Violations
30
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H78N12O10
MW 959.20
Aromatic Rings 1
Heavy Atoms 68
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
3351849 10.1021/jm00399a008 Oryctolagus cuniculus 1
3351849 10.1021/jm00399a008 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine